(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid

C15H23N3O5 — CID 130236139

IUPAC(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid
SMILESCC(C)[C@H](NNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C15H23N3O5/c1-10(2)14(15(22)23)17-16-11(19)6-4-3-5-9-18-12(20)7-8-13(18)21/h7-8,10,14,17H,3-6,9H2,1-2H3,(H,16,19)(H,22,23)/t14-/m0/s1
InChIKeyYDWXVLPTEOJGKT-AWEZNQCLSA-N
MW325.37 g/mol
LogP0.20
Rot. Bonds10

About (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid

(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid (PubChem CID 130236139) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid
PubChem CID130236139
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid
SMILESCC(C)[C@H](NNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C15H23N3O5/c1-10(2)14(15(22)23)17-16-11(19)6-4-3-5-9-18-12(20)7-8-13(18)21/h7-8,10,14,17H,3-6,9H2,1-2H3,(H,16,19)(H,22,23)/t14-/m0/s1
InChIKeyYDWXVLPTEOJGKT-AWEZNQCLSA-N
XLogP0.20
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Maleimidocaproyl valine
CID 66850554
Maleimido-caproyl-valine
CID 118277119
6-Amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 22717609
(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 54180362
2-[(2,5-Dioxopyrrol-1-yl)amino]hexanoic acid
CID 67635438
2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoic acid
CID 77196582
Maleimidocaproyl-valine alanine
CID 89501167
(2S)-2-(hexanoylamino)-3-methylbutanoic acid;pyrrole-2,5-dione
CID 117823251
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid
CID 130236138
2-[(2,5-Dioxopyrrol-1-yl)-hexanoylamino]-3-methylbutanoic acid
CID 135125401
2-Aminopropanoic acid;2-[(2,5-dioxopyrrol-1-yl)-hexanoylamino]-3-methylbutanoic acid
CID 156337647
2-[2-(2,5-Dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoic acid
CID 169707817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid (CID 130236139) is (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid is CC(C)[C@H](NNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid?
The InChIKey is YDWXVLPTEOJGKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-10(2)14(15(22)23)17-16-11(19)6-4-3-5-9-18-12(20)7-8-13(18)21/h7-8,10,14,17H,3-6,9H2,1-2H3,(H,16,19)(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid?
(2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid has a molecular weight of 325.37 g/mol, XLogP of 0.20, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-methylbutanoic acid is sourced from PubChem (CID 130236139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).